SCHEMBL7003996

SCHEMBL7003996

CCCCNc1nc(SCCC)nc2c1nnn2[C@H]1C[C@@H](OCC(=O)O)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.61
▸ PGR P06401 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ P2RY13 Q9BPV8 1/20 0.40
▸ USP28 Q96RU2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7515643 0.88 P2RY12 (0.73) P2RY12USP28
SCHEMBL6998605 0.87 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16800372 0.87 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6996673 0.86 P2RY12 (0.75) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192180 0.86 P2RY12 (0.42) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192174 0.86 P2RY12 (0.42) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192074 0.86 P2RY12 (0.42) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7510370 0.86 P2RY12 (0.64) P2RY12USP28
SCHEMBL7507775 0.86 P2RY12 (0.73) P2RY12USP28
SCHEMBL7002344 0.85 P2RY12 (0.72) P2RY12PGRADORA3CHRM1DRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 — — EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 — — US disclosed
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